3,4-ditert-butyl-5-(methoxymethyl)morpholine

C14H29NO2 — CID 153289782

IUPAC3,4-ditert-butyl-5-(methoxymethyl)morpholine
SMILESCOCC1COCC(C(C)(C)C)N1C(C)(C)C
InChIInChI=1S/C14H29NO2/c1-13(2,3)12-10-17-9-11(8-16-7)15(12)14(4,5)6/h11-12H,8-10H2,1-7H3
InChIKeyDRYLKPLUABHOTJ-UHFFFAOYSA-N
MW243.39 g/mol
LogP2.55
Rot. Bonds2

About 3,4-ditert-butyl-5-(methoxymethyl)morpholine

3,4-ditert-butyl-5-(methoxymethyl)morpholine (PubChem CID 153289782) has the molecular formula C14H29NO2 and a molecular weight of 243.39 g/mol. Its IUPAC name is 3,4-ditert-butyl-5-(methoxymethyl)morpholine.

Molecular Properties

Compound Name3,4-ditert-butyl-5-(methoxymethyl)morpholine
PubChem CID153289782
Molecular FormulaC14H29NO2
Molecular Weight243.39 g/mol
Exact Mass243.22
IUPAC Name3,4-ditert-butyl-5-(methoxymethyl)morpholine
SMILESCOCC1COCC(C(C)(C)C)N1C(C)(C)C
InChIInChI=1S/C14H29NO2/c1-13(2,3)12-10-17-9-11(8-16-7)15(12)14(4,5)6/h11-12H,8-10H2,1-7H3
InChIKeyDRYLKPLUABHOTJ-UHFFFAOYSA-N
XLogP2.55
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.39
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3,4-ditert-butyl-5-ethylmorpholine
CID 70884419
(4,5-ditert-butylmorpholin-3-yl)methanol
CID 148550763
4,5-ditert-butyl-2-(methoxymethyl)morpholine
CID 147150938
2-(methoxymethyl)-1-(oxetan-3-yl)pyrrolidine
CID 147106850
3-(methoxymethyl)morpholine-4-carbaldehyde
CID 112537810
1-tert-butyl-2-(methoxymethyl)azetidine
CID 14509066
4-ethyl-3-(methoxymethyl)morpholine
CID 126561554
3-(methoxymethyl)-N-methylmorpholin-4-amine
CID 166902411
(1S,5R)-6-tert-butyl-3-oxa-6-azabicyclo[3.1.1]heptane
CID 129150641
(3R)-3-(methoxymethyl)-4-phenylmorpholine
CID 173472557
4-[1-[(4-tert-butylmorpholin-3-yl)methoxy]-2-methylpropan-2-yl]-3,5-dimethylmorpholine
CID 130178669
tert-butyl 4-(methoxymethyl)-2-oxooxathiazolidine-3-carboxylate
CID 122604290

Frequently Asked Questions

What is the IUPAC name of 3,4-ditert-butyl-5-(methoxymethyl)morpholine?
The IUPAC name of 3,4-ditert-butyl-5-(methoxymethyl)morpholine (CID 153289782) is 3,4-ditert-butyl-5-(methoxymethyl)morpholine.
What is the SMILES notation for 3,4-ditert-butyl-5-(methoxymethyl)morpholine?
The canonical SMILES for 3,4-ditert-butyl-5-(methoxymethyl)morpholine is COCC1COCC(C(C)(C)C)N1C(C)(C)C.
What is the InChIKey of 3,4-ditert-butyl-5-(methoxymethyl)morpholine?
The InChIKey is DRYLKPLUABHOTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO2/c1-13(2,3)12-10-17-9-11(8-16-7)15(12)14(4,5)6/h11-12H,8-10H2,1-7H3.
What are the key properties of 3,4-ditert-butyl-5-(methoxymethyl)morpholine?
3,4-ditert-butyl-5-(methoxymethyl)morpholine has a molecular weight of 243.39 g/mol, XLogP of 2.55, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-ditert-butyl-5-(methoxymethyl)morpholine is sourced from PubChem (CID 153289782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).